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Information card for entry 4072994
Preview
Coordinates | 4072994.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H40 I3 P Ru |
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Calculated formula | C26 H40 I3 P Ru |
SMILES | [Ru](I)(I)(I)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)#Cc1ccc(cc1)C |
Title of publication | Synthesis, Structure, and Reactivity of Four-, Five-, and Six-Coordinate Ruthenium Carbyne Complexes |
Authors of publication | Caskey, Stephen R.; Stewart, Michael H.; Ahn, Yi Joon; Johnson, Marc J. A.; Rowsell, Jesse L. C.; Kampf, Jeff W. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 8 |
Pages of publication | 1912 |
a | 17.267 ± 0.002 Å |
b | 17.974 ± 0.002 Å |
c | 18.631 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5782.3 ± 1.3 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0828 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4072994.html
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